2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide

C19H15ClN2O2S — CID 4632228

IUPAC2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H15ClN2O2S/c20-14-8-10-15(11-9-14)24-12-18(23)22-19(25)21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,22,23,25)
InChIKeyXTDGROYIJMJECN-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.39
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide

2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide (PubChem CID 4632228) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
PubChem CID4632228
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H15ClN2O2S/c20-14-8-10-15(11-9-14)24-12-18(23)22-19(25)21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,22,23,25)
InChIKeyXTDGROYIJMJECN-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4990404
2-(4-chlorophenoxy)-N-[(2-cyanophenyl)carbamothioyl]acetamide
CID 920631
2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 4632520
N-[(2-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 884926
N-[(2-methylphenyl)carbamothioyl]-2-[4-[2-[(2-methylphenyl)carbamothioylamino]-2-oxoethoxy]phenoxy]acetamide
CID 3644357
4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide
CID 19188853
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 1014420
4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoate
CID 7312837
2-naphthalen-1-yloxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 3394643
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide (CID 4632228) is 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide is O=C(COc1ccc(Cl)cc1)NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The InChIKey is XTDGROYIJMJECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-14-8-10-15(11-9-14)24-12-18(23)22-19(25)21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,22,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide has a molecular weight of 370.86 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide is sourced from PubChem (CID 4632228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).